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28280-67-3

28280-67-3 structural image
Product Name: 3-(3,5-DIOXO-2,3,4,5-TETRAHYDRO-[1,2,4]TRIAZIN-6-YL)-PROPIONIC ACID
Formula: C6H7N3O4
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 185.14 g/mol
XLogP3 -0.8
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 185.04365571 g/mol
Monoisotopic Mass 185.04365571 g/mol
Topological Polar Surface Area 108 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 296
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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